CAS RN: 57761-30-5
Methyl epi-dihydrophaseate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251115 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS57761-30-5
- Purity/Analytical Methods: >99.0%
57761-30-5 / methyl (2Z,4E)-5-[(1R,3R,5R,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoate
Basic Information
CAS
57761-30-5
Multi CAS
No
Molecular Formula
C16H24O5
Molecular Weight
296.360000
Exact Mass
296.162374
InChI
InChI=1S/C16H24O5/c1-11(7-13(18)20-4)5-6-16(19)14(2)8-12(17)9-15(16,3)21-10-14/h5-7,12,17,19H,8-10H2,1-4H3/b6-5+,11-7-/t12-,14-,15-,16+/m1/s1
InChIKey
QNMHUZMKLBWTQM-TZQVSPQQSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.69
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
77.57
TPSA
75.99
LogP / Solubility
WLOGP
1.34
MLOGP
1.19
XLogP3
1.2
Consensus LogP
1.24
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
6.5
Customers Also Viewed
-
-
ETHYL 6-HYDROXYBENZO[D]ISOXAZOLE-3-CARBOXYLATE
- CAS RN: 57764-50-8
- Product Code: starshine_CAS57764-50-8
- Purity/Analytical method: >99.0%
-
6-BENZYLOXYGRAMINE
- CAS RN: 57765-22-7
- Product Code: starshine_CAS57765-22-7
- Purity/Analytical method: >99.0%
-
-
-
ethyl 5-acetyl-2-amino-4-methyl-thiophene-3-carboxylate
- CAS RN: 57773-41-8
- Product Code: SSC-165950
![CAS 57764-50-8 ETHYL 6-HYDROXYBENZO[D]ISOXAZOLE-3-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/57764-50-8.gif)
